Chemical ID: 4785646

Cc1cc(no1)c2nc(on2)C(C)(C)C
Chemical ID:
4785646
Name [?]:
3-(5-methylisoxazol-3-yl)-5-tert-butyl-1,2,4-oxadiazole
SMILES [?]:
Cc1cc(no1)c2nc(on2)C(C)(C)C
InChi [?]:
InChI=1/C10H13N3O2/c1-6-5-7(12-14-6)8-11-9(15-13-8)10(2,3)4/h5H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,3,2,4,7,9,12,8,5,11,6,10/E:(2,3,4)/rA:15nCCCCNOCNCONCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d7s10;s9;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.51634
Area:388.917
Solvation:-2.20658
Coulombic:-15.6134
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.229
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.01
LogP (Chemaxon):2.84

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Descriptor Annotations

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